NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4742 8.3349 115.4223 57.9237 64.9890 176.6917 16 I 4.1654 8.1025 125.8303 59.6032 40.5435 174.0550 17 R 4.7530 9.3075 116.7493 55.6769 30.4941 175.6939 18 L 3.3074 7.5671 118.1530 53.4141 43.0149 176.1866 19 P 4.3248 0.0000 0.0000 62.2435 32.3083 177.0882 20 A 3.9492 8.7914 122.7866 56.0231 18.1560 180.0266 21 H 4.0709 8.3274 110.4307 58.2690 28.8170 176.2870 22 L 4.5593 7.4453 117.7961 54.4694 41.5204 177.8600 23 R 4.0677 8.0996 120.5550 58.2376 30.1222 177.0828 24 L 4.5298 7.7386 117.5306 54.0787 42.2110 176.2100 25 Q 3.9870 8.6661 117.9685 55.2338 29.2713 175.9399 26 P 2.0000 0.0000 0.0000 64.9394 31.3395 178.2435 27 I 3.4150 7.1433 116.6206 63.4573 37.7555 175.6928 28 Y 4.6201 7.7485 115.8015 57.5566 38.5875 176.0104 29 W 4.7197 8.2907 122.2508 57.1803 29.8698 175.9432 30 S 4.9698 9.2376 117.5958 56.7494 64.7664 174.9946 31 R 4.3551 8.6093 121.7194 59.3679 29.4659 178.1796 32 D 4.4129 7.7272 118.7190 57.1833 40.7615 178.4828 33 D 4.0802 8.0988 119.5672 57.2964 40.7690 178.4615 34 V 3.6222 7.9221 117.8481 66.3626 31.2858 177.3776 35 A 4.0221 7.9603 119.5317 55.6255 18.1436 179.4759 36 Q 3.9284 8.2718 117.7868 58.7544 29.0405 178.1631 37 W 4.1380 8.4890 129.9836 60.4231 30.7457 177.8517 38 L 3.4689 8.1273 118.9365 57.6251 41.1551 179.8095 39 K 4.1793 7.7739 119.4093 58.6064 32.0350 179.0960 40 W 4.1745 8.4780 128.7121 60.6029 30.6341 177.8146 41 A 3.6410 8.4065 121.2307 54.9295 17.4453 179.3428 42 E 4.0269 8.0296 115.7776 58.9568 29.5126 178.9803 43 N 4.3806 7.5949 116.6760 55.8131 38.9481 176.6305 44 E 3.7282 7.7463 119.6930 58.0220 29.6427 177.4457 45 F 4.5247 7.8557 116.2790 57.8453 39.7287 175.0283 46 S 3.7374 8.1144 111.6756 58.9359 60.7709 171.9797 47 L 4.1680 7.3597 118.0355 53.8933 42.0781 177.5046 48 R 3.9066 8.4133 122.2520 55.4969 30.5056 174.2941 49 P 4.1407 0.0000 0.0000 63.2641 31.5825 175.5084 50 I 4.4069 8.0585 116.4765 58.9607 39.6901 175.0025 51 D 4.5897 8.4806 121.9540 53.5620 41.3421 177.0082 52 S 4.3677 8.9641 123.9460 61.8750 62.9535 176.0320 53 N 4.6457 8.5857 117.5842 55.5654 38.7264 175.5255 54 T 4.1200 8.3051 107.7690 63.9917 69.8437 175.1085 55 F 4.7892 8.3289 119.7713 55.9863 38.7720 176.4797 56 E 4.3742 7.7911 120.7589 54.5318 28.4734 175.9088 57 M 4.3679 7.7232 119.5221 54.7066 33.8615 174.5644 58 N 5.0629 8.0959 117.1290 51.3371 40.1590 175.6760 59 G 3.6915 8.9816 104.5068 48.3741 0.0000 175.7052 60 K 3.7626 8.1601 119.2246 59.2296 32.2756 178.7408 61 A 4.1351 8.0653 120.8553 54.8690 18.3906 179.2141 62 L 3.9872 7.9720 118.9162 58.5401 41.9893 179.1470 63 L 4.1962 8.0209 116.6649 56.6103 41.5962 178.3519 64 L 4.3767 7.7209 117.7114 54.4307 42.4013 176.8426 65 L 4.4620 7.4079 119.5878 54.5767 42.5043 177.0555 66 T 4.3849 8.7637 113.0793 59.9163 72.1365 175.7742 67 K 3.0893 7.4865 121.0613 59.4458 31.9383 178.1194 68 E 3.9959 7.9388 119.0442 59.1175 29.6967 178.3715 69 D 4.3162 7.8620 118.6341 57.3572 40.9282 178.5734 70 F 4.0763 8.6056 118.3654 60.8617 38.7669 177.7514 71 R 4.1518 8.6342 118.5270 59.6625 29.5480 177.8769 72 Y 4.0366 8.3021 119.1551 60.7150 38.8770 177.8831 73 R 4.2511 7.8761 117.7992 57.5596 31.1334 176.7320 74 S 4.4196 8.1739 112.9828 55.3804 63.0428 171.9170 75 P 4.3592 0.0000 0.0000 64.6216 31.5503 177.8398 76 H 4.4631 8.1584 112.4641 57.8738 28.9806 175.9691 77 S 4.6474 8.1185 112.8659 56.9478 64.7633 175.6427 78 G 4.0700 8.9590 109.4940 48.4361 0.0000 175.3011 79 D 4.4998 8.2387 121.2418 57.1817 40.8312 179.3776 80 R 3.9027 7.9557 117.7207 59.0314 30.0474 179.0229 81 L 3.9371 8.0622 118.9329 57.7874 41.6619 178.7583 82 Y 3.1420 7.7840 119.3399 60.4953 38.7124 177.9879 83 E 3.5666 8.0325 119.2979 59.2552 29.5911 179.0352 84 L 3.8257 7.9394 120.5000 58.1772 42.0881 178.8866 85 L 3.9740 8.1834 120.2341 58.1141 41.9299 178.8033 86 Q 3.8119 7.7798 118.0739 59.1839 28.5923 178.7269 87 H 4.2278 8.1564 117.0244 59.0525 28.5846 177.9302 88 I 3.7863 7.6476 120.2284 64.3077 36.9755 177.9528 89 L 3.9841 8.2648 123.1165 58.6159 41.9950 179.5548 90 K 4.1485 8.1532 122.7328 58.9846 31.7639 179.4956 91 Q 4.5091 7.6975 120.8494 56.8944 28.8466 176.2790 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 15 S 8.33 4.47 0.00 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.10 4.17 2.21 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.59 1.26 0.00 0.00 17 R 9.31 4.75 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 18 L 7.57 3.31 0.00 1.51 1.31 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.32 0.00 2.01 1.92 0.00 2.94 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 20 A 8.79 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.33 4.07 0.00 3.16 3.52 0.00 5.87 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.45 4.56 0.00 1.50 1.55 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.10 4.07 0.00 2.04 2.01 0.00 3.19 0.00 0.00 3.56 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 24 L 7.74 4.53 0.00 1.96 1.73 1.31 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.67 3.99 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 26 P 0.00 2.00 0.00 1.44 0.64 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.00 27 I 7.14 3.42 1.47 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.23 -0.20 0.00 0.00 28 Y 7.75 4.62 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.29 4.72 0.00 3.50 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.24 4.97 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.61 4.36 0.00 1.95 2.03 0.00 3.35 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 32 D 7.73 4.41 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.10 4.08 0.00 2.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.92 3.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.20 0.00 0.00 35 A 7.96 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.27 3.93 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 37 W 8.49 4.14 0.00 2.82 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.13 3.47 0.00 1.82 1.54 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.77 4.18 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.30 7.81 40 W 8.48 4.17 0.00 3.41 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.41 3.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.03 4.03 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 43 N 7.59 4.38 0.00 2.60 2.81 0.00 0.00 6.93 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.75 3.73 0.00 1.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 45 F 7.86 4.52 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.11 3.74 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.36 4.17 0.00 1.66 1.55 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.41 3.91 0.00 1.78 1.91 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 49 P 0.00 4.14 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 50 I 8.06 4.41 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 1.01 0.00 0.00 51 D 8.48 4.59 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.96 4.37 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.59 4.65 0.00 2.84 2.89 0.00 0.00 7.23 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.31 4.12 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 55 F 8.33 4.79 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.79 4.37 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 57 M 7.72 4.37 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 58 N 8.10 5.06 0.00 3.28 3.09 0.00 0.00 5.79 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.98 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.16 3.76 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.62 7.81 61 A 8.07 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.97 3.99 0.00 2.04 1.88 1.11 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.02 4.20 0.00 1.58 1.65 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.72 4.38 0.00 1.82 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.41 4.46 0.00 2.13 1.76 0.65 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.76 4.38 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 67 K 7.49 3.09 0.00 0.97 1.53 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.44 7.81 68 E 7.94 4.00 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 69 D 7.86 4.32 0.00 3.01 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.61 4.08 0.00 3.29 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.63 4.15 0.00 2.13 2.22 0.00 3.13 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 72 Y 8.30 4.04 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.88 4.25 0.00 1.66 1.56 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 74 S 8.17 4.42 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.36 0.00 2.14 2.11 0.00 3.82 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 76 H 8.16 4.46 0.00 3.29 3.41 0.00 5.47 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.12 4.65 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.24 4.50 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.96 3.90 0.00 1.80 1.81 0.00 3.07 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 81 L 8.06 3.94 0.00 2.21 2.21 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.78 3.14 0.00 2.41 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.03 3.57 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 84 L 7.94 3.83 0.00 1.59 1.97 1.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.18 3.97 0.00 1.84 1.60 0.20 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.78 3.81 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 87 H 8.16 4.23 0.00 3.40 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.65 3.79 1.97 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 0.90 0.00 0.00 89 L 8.26 3.98 0.00 1.64 1.72 0.67 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.15 4.15 0.00 1.87 1.71 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.35 7.81 91 Q 7.70 4.51 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.52 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00